1-phenylethyl-[(Z)-4-(1-phenylethylimino)pent-2-en-2-yl]azanide;propan-2-ol;zinc

C24H33N2OZn- — CID 162407549

IUPAC1-phenylethyl-[(Z)-4-(1-phenylethylimino)pent-2-en-2-yl]azanide;propan-2-ol;zinc
SMILESC/C(=C/C(C)=N\C(C)c1ccccc1)[N-]C(C)c1ccccc1.CC(C)O.[Zn]
InChIInChI=1S/C21H25N2.C3H8O.Zn/c1-16(22-18(3)20-11-7-5-8-12-20)15-17(2)23-19(4)21-13-9-6-10-14-21;1-3(2)4;/h5-15,18-19H,1-4H3;3-4H,1-2H3;/q-1;;/b16-15-,23-17-;;
InChIKeyKYRPHIVHCZRTKX-HOYLTREWSA-N
MW430.93 g/mol
LogP6.63
Rot. Bonds6

About 1-phenylethyl-[(Z)-4-(1-phenylethylimino)pent-2-en-2-yl]azanide;propan-2-ol;zinc

1-phenylethyl-[(Z)-4-(1-phenylethylimino)pent-2-en-2-yl]azanide;propan-2-ol;zinc (PubChem CID 162407549) has the molecular formula C24H33N2OZn- and a molecular weight of 430.93 g/mol. Its IUPAC name is 1-phenylethyl-[(Z)-4-(1-phenylethylimino)pent-2-en-2-yl]azanide;propan-2-ol;zinc.

Molecular Properties

Compound Name1-phenylethyl-[(Z)-4-(1-phenylethylimino)pent-2-en-2-yl]azanide;propan-2-ol;zinc
PubChem CID162407549
Molecular FormulaC24H33N2OZn-
Molecular Weight430.93 g/mol
Exact Mass429.19
IUPAC Name1-phenylethyl-[(Z)-4-(1-phenylethylimino)pent-2-en-2-yl]azanide;propan-2-ol;zinc
SMILESC/C(=C/C(C)=N\C(C)c1ccccc1)[N-]C(C)c1ccccc1.CC(C)O.[Zn]
InChIInChI=1S/C21H25N2.C3H8O.Zn/c1-16(22-18(3)20-11-7-5-8-12-20)15-17(2)23-19(4)21-13-9-6-10-14-21;1-3(2)4;/h5-15,18-19H,1-4H3;3-4H,1-2H3;/q-1;;/b16-15-,23-17-;;
InChIKeyKYRPHIVHCZRTKX-HOYLTREWSA-N
XLogP6.63
TPSA46.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.93
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-phenylethyl-[(Z)-4-(1-phenylethylimino)pent-2-en-2-yl]azanide;propan-2-ol;zinc?
The IUPAC name of 1-phenylethyl-[(Z)-4-(1-phenylethylimino)pent-2-en-2-yl]azanide;propan-2-ol;zinc (CID 162407549) is 1-phenylethyl-[(Z)-4-(1-phenylethylimino)pent-2-en-2-yl]azanide;propan-2-ol;zinc.
What is the SMILES notation for 1-phenylethyl-[(Z)-4-(1-phenylethylimino)pent-2-en-2-yl]azanide;propan-2-ol;zinc?
The canonical SMILES for 1-phenylethyl-[(Z)-4-(1-phenylethylimino)pent-2-en-2-yl]azanide;propan-2-ol;zinc is C/C(=C/C(C)=N\C(C)c1ccccc1)[N-]C(C)c1ccccc1.CC(C)O.[Zn].
What is the InChIKey of 1-phenylethyl-[(Z)-4-(1-phenylethylimino)pent-2-en-2-yl]azanide;propan-2-ol;zinc?
The InChIKey is KYRPHIVHCZRTKX-HOYLTREWSA-N. The full InChI is InChI=1S/C21H25N2.C3H8O.Zn/c1-16(22-18(3)20-11-7-5-8-12-20)15-17(2)23-19(4)21-13-9-6-10-14-21;1-3(2)4;/h5-15,18-19H,1-4H3;3-4H,1-2H3;/q-1;;/b16-15-,23-17-;;.
What are the key properties of 1-phenylethyl-[(Z)-4-(1-phenylethylimino)pent-2-en-2-yl]azanide;propan-2-ol;zinc?
1-phenylethyl-[(Z)-4-(1-phenylethylimino)pent-2-en-2-yl]azanide;propan-2-ol;zinc has a molecular weight of 430.93 g/mol, XLogP of 6.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylethyl-[(Z)-4-(1-phenylethylimino)pent-2-en-2-yl]azanide;propan-2-ol;zinc is sourced from PubChem (CID 162407549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).